PDCoA

CAT: 0931-TYD-04467-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-TYD-04467-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

93255-33-5

Target

Others

Related Pathways

Others

Bioactivity

PDCoA (Coenzyme A, S-1-pyrenedodecanoate) is a derivative of coenzyme A.

Smiles

C(CCCCCCCCCCC(SCCNC(CCNC([C@@H](C(COP(OP(OC[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O1)N2C=3C(N=C2)=C(N)N=CN3)(=O)O)(=O)O)(C)C)O)=O)=O)=O)C4=C5C6=C7C(C=C5)=CC=CC7=CC=C6C=C4

Molecular Formula

C49H66N7O17P3S

Molecular Weight

1150.07

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

pyrenedodecanoyl-coenzyme A

RN given in first source; RN not in Chemline 4/85

CAS Number	93255-33-5
PubChem CID	125034
IUPAC Name	S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 12-pyren-1-yldodecanethioate
Molecular Formula	C49H66N7O17P3S
Molecular Weight	1150.1
XLogP	4
Topological Polar Surface Area	389
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	32
Heavy Atom Count	77
Formal Charge	0
Complexity	2090

SMILES

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)O

InChI

InChI=1S/C49H66N7O17P3S/c1-49(2,28-70-76(67,68)73-75(65,66)69-27-36-43(72-74(62,63)64)42(59)48(71-36)56-30-55-41-45(50)53-29-54-46(41)56)44(60)47(61)52-24-23-37(57)51-25-26-77-38(58)16-11-9-7-5-3-4-6-8-10-13-31-17-18-34-20-19-32-14-12-15-33-21-22-35(31)40(34)39(32)33/h12,14-15,17-22,29-30,36,42-44,48,59-60H,3-11,13,16,23-28H2,1-2H3,(H,51,57)(H,52,61)(H,65,66)(H,67,68)(H2,50,53,54)(H2,62,63,64)

InChIKey

BPNVONKYJJXBQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 93255-33-5

CID: 125034

Formula: C49H66N7O17P3S

MW: 1150.1

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1150.1
XLogP3	4
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	32
Exact Mass	1149.34487583
Monoisotopic Mass	1149.34487583
Topological Polar Surface Area	389 Å²
Heavy Atom Count	77
Formal Charge	0
Complexity	2090
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-CE01641	PDCoA

PDCoA

Chemical Information

Alternative Products

Popular Products